First-principles study of ceramic interfaces: Structures and electronic and mechanical properties

被引：0
|
作者：
Kohyama, Masanori [1 ]
Tanaka, Shingo [1 ]
机构：
[1] Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology, Ikeda, Osaka
来源：
Key Engineering Materials | 2009年 / 403卷
关键词：
Ceramic/metal interface; Interface stoichiometry; Schottky-barrier height; Tensile strength;
D O I：
10.4028/3-908454-00-X.205
中图分类号：
学科分类号：
摘要：
First-principles calculations based on ddensity-functional theory are powerful tools to investigate the structure and properties of ceramic interfaces. The Schottky-barrier heights of SiC/metal and Al2O 3/metal interfaces have been examined, and significant effects of the interface stoichiometry (termination species) and metallic species have been found. Ab initio tensile tests have been applied to Al2O 3/CU and Al2O3/Ni interfaces, where the strength and features of failure also greatly depend on the interface stoichiometry and metallic species.
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收藏
页码：205 / 206
页数：1
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